UCSF

ZINC05919704

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.06 7.16 -11.48 1 5 0 72 290.344 6
Mid Mid (pH 6-8) 3.52 6.06 -46.95 0 5 -1 75 289.336 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )